Information card for entry 2007525

Structure parameters

• Chemical name: 8-aminoquinolinium chloride dihydrate
• Formula: C9 H13 Cl N2 O2
• Calculated formula: C9 H13 Cl N2 O2
• SMILES: [nH+]1cccc2cccc(N)c12.O.O.[Cl-]
• Title of publication: 8-Aminoquinolinium Chloride Dihydrate
• Authors of publication: Barry J. Prince; Mark M. Turnbull
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1178 - 1180
• a: 6.771 ± 0.001 Å
• b: 8.63 ± 0.004 Å
• c: 9.88 ± 0.003 Å
• α: 103.88 ± 0.02°
• β: 102.8 ± 0.02°
• γ: 100.14 ± 0.03°
• Cell volume: 530.3 ± 0.3 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.115
• Weighted residual factors for significantly intense reflections: 0.112
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for significantly intense reflections: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No